SCHEMBL6922606

SCHEMBL6922606

CC(C)NCc1ccc(-c2cc(-c3cccc(C(=O)NC(C#N)C4CC4)c3)no2)cc1

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 14/20 0.78
PRKD3 O94806 1/20 0.64
PRKD2 Q9BZL6 1/20 0.64
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38
SCN9A Q15858 1/20 0.37
CTSK P43235 1/20 0.36
CTSC P53634 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
USP30 Q70CQ3 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL935843 0.88 PRKD1 (1.00) PRKD1PRKD3PRKD2PPARGPPARA
SCHEMBL935844 0.88 PRKD1 (1.00) PRKD1PRKD3PRKD2PPARGPPARA
SCHEMBL936479 0.86 PRKD1 (0.81) PRKD1PRKD3PRKD2PPARGPPARA
SCHEMBL6923923 0.85 PRKD1 (0.82) PRKD1PRKD3PRKD2PPARGPPARA
SCHEMBL6923880 0.81 PRKD1 (0.72) PRKD1PRKD3PRKD2CTSK
SCHEMBL936644 0.80 PRKD1 (0.85) PRKD1PRKD3PRKD2PPARGPPARA
SCHEMBL936642 0.80 PRKD1 (0.85) PRKD1PRKD3PRKD2PPARGPPARA
SCHEMBL936499 0.79 PRKD1 (0.82) PRKD1PRKD3PRKD2
SCHEMBL936497 0.79 PRKD1 (0.82) PRKD1PRKD3PRKD2
SCHEMBL935976 0.79 PRKD1 (0.82) PRKD1PRKD3PRKD2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011009484-A1 ARYLPYRAZOLES AND ARYLISOXAZOLES AND THEIR USE AS PKD MODULATORS NOVARTIS AG (CH) 2011-01-27 WO disclosed